4-(TRIFLUOROMETHYLTHIO)PHENYLACETIC ACID

Base Information

• Chemical Name: 4-(TRIFLUOROMETHYLTHIO)PHENYLACETIC ACID
• CAS No.: 102582-93-4
• Molecular Formula: C9H7F3O2S
• Molecular Weight: 236.215
• Hs Code.: 2930909899
• Mol file: 102582-93-4.mol

Synonyms:Aceticacid, [[4-(trifluoromethyl)phenyl]thio]- (9CI);Benzeneacetic acid, 4-[(trifluoromethyl)thio]-;

Chemical Property of 4-(TRIFLUOROMETHYLTHIO)PHENYLACETIC ACID

Chemical Property:

• Vapor Pressure: 0.0102mmHg at 25°C
• Melting Point: 114-118 °C(lit.)
• Refractive Index: 1.531
• Boiling Point: 252.2 °C at 760 mmHg
• PKA: 3.36±0.10(Predicted)
• Flash Point: 106.3 °C
• PSA: 62.60000
• Density: 1.44 g/cm³
• LogP: 2.88210
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

2-((4-(Trifluoromethyl)phenyl)thio)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(TRIFLUOROMETHYLTHIO)PHENYLACETIC ACID

There total 3 articles about 4-(TRIFLUOROMETHYLTHIO)PHENYLACETIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 68.0%

carbon dioxide (124-38-9,18923-20-1) + 1-(methylsulfanyl)-4-(trifluoromethyl)benzene (329-14-6) → <4-(trifluoromethyl)phenylthio>acetic acid (102582-93-4)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In hexane; cyclohexane; at -50 ℃; for 24h;

DOI:10.1016/S0022-328X(96)06877-5

Reference yield:

4-chlorobenzotrifluoride (98-56-6) → <4-(trifluoromethyl)phenylthio>acetic acid (102582-93-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / N,N-dimethylformamide / 20 h / 40 - 50 °C

2: 68 percent / 1.) 2 molar eq. sec-butyllithium, TMEDA / cyclohexane; hexane / 24 h / -50 °C

With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; N,N-dimethyl-formamide; In hexane; cyclohexane;

DOI:10.1016/S0022-328X(96)06877-5

Reference yield:

→ <4-(trifluoromethyl)phenylthio>acetic acid (102582-93-4)

Guidance literature:

upstream raw materials:

carbon dioxide

1-(methylsulfanyl)-4-(trifluoromethyl)benzene

4-chlorobenzotrifluoride

Downstream raw materials:

Tris(2-hydroxyethyl)ammonium 4-trifluoromethylphenylthioacetate

3-(4-trifluoromethylphenylthio)quinoline

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